Cyclohexylthiophthalimide

C₁₄H₁₅NO₂SCAS 17796-82-6261.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₅NO₂S
Molar mass: 261.34 g/mol
Exact mass: 261.0823 Da
Density: 1.33 g/mL (at 25 °C)
Melting point: 93–94 °C
Flash point: 177 °C (open cup)
Water solubility: 10.8 mg/L (20 °C)
logP: 3.26Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction96.7% of notifiers
H400 Very toxic to aquatic life71.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects94.5% of notifiers

Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

17796-82-6

SMILES

O=C1c2ccccc2C(=O)N1SC1CCCCC1

InChIKey

UEZWYKZHXASYJN-UHFFFAOYSA-N

InChI

InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

24 names · show all

1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-
Phthalimide, N-(cyclohexylthio)-
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
N-(Cyclohexylthio)phthalimide
Santogard PVI
N-Cyclohexylsulfenylphthalimide
Santogard PVI-DS
Duslin P
Vulkalent G
Retarder CTP
Accitard RE
Duslin PP
Rhenogran CPT 80
CTP
CTP (chinese inhibitor)
2-(Cyclohexylthio)isoindoline-1,3-dione
PVI
Anscorch CTP
Vulkalent P
Pilgard PVI
CTP-PVI
2-Cyclohexylsulfanylisoindole-1,3-dione
2-(Cyclohexylsulfanyl)-2,3-dihydro-1H-isoindole-1,3-dione
SF 205

Work with Cyclohexylthiophthalimide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-Thiobis(1H-isoindole-1,3(2H)-dione)7764-29-653 % similar Folpet133-07-345 % similar 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione104618-32-843 % similar N-(6-Bromohexyl)phthalimide24566-79-843 % similar N-(10-Bromodec-1-yl)phthalimide24566-80-143 % similar N-(5-Bromopentyl)phthalimide954-81-443 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-542 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Benzyl-p-toluenesulfonamide1576-37-0 Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate4815-37-6

Elsewhere

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